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IBS-ZINC02407441

MMsINC code: MMs01854056

Type: Neutral
Formula: C24H24O5
SMILES:   O1c2c(ccc(OC(=O)C3CCCCC3)c2)C(=O)C(c2ccc(OC)cc2)=C1C
InChI:   InChI=1/C24H24O5/c1-15-22(16-8-10-18(27-2)11-9-16)23(25)20-13-12-19(14-21(20)28-15)29-24(26)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=108.752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.451 g/mol  logS: -6.8165  SlogP: 5.1872  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0363394  Sterimol/B1: 2.34397  Sterimol/B2: 2.92783  Sterimol/B3: 4.36122
  Sterimol/B4: 6.97575  Sterimol/L: 22.4365 
 
 Surface and Volume Properties
  Accessible surface: 685.692  Positive charged surface: 465.106  Negative charged surface: 220.586  Volume: 377.125
  Hydrophobic surface: 615.786  Hydrophilic surface: 69.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.